SCHEMBL9835976

SCHEMBL9835976

CCOCCCNC(=O)COc1ccc(C2=NNC(=O)NC2C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.42
TSHR P16473 5/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
PTBP1 P26599 1/20 0.38
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9835522 0.95 HPGD (0.45) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL9836932 0.90 TSHR (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL9836412 0.84 ALDH1A1 (0.51) SMN1; SMN2LMNARAB9AALDH1A1HPGD
SCHEMBL9834628 0.83 MAPT (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL9837594 0.83 PDE3B (0.41) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL10431228 0.82 ALDH1A1 (0.59) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL9835111 0.82 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1USP2
SCHEMBL9834522 0.81 ALDH1A1 (0.42) ALDH1A1HPGDCASP1HSD17B10L3MBTL1
SCHEMBL9836476 0.81 TDP1 (0.48) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL9835465 0.80 BCHE (0.49) LMNANPC1TSHRHSD17B10MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP claimed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US claimed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP claimed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed